General Information of the Compound
Compound ID
CP0497949
Compound Name
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C18H16N6O
Molecular Weight
332.367
Canonical SMILES
Cc1cnc(NC(=O)c2nc(C)cc3c(c[nH]c23)-c2ccccn2)[nH]1
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InChI
InChI=1S/C18H16N6O/c1-10-7-12-13(14-5-3-4-6-19-14)9-20-15(12)16(22-10)17(25)24-18-21-8-11(2)23-18/h3-9,20H,1-2H3,(H2,21,23,24,25)
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InChIKey
IISWKTHOSRQNNP-UHFFFAOYSA-N
Physicochemical Property
logP
3.21714
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
99.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71462056
SID: 163440616
ChEMBL ID
CHEMBL2153793
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 240 nM
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